N-[(2S)-2-amino-3-[(5-tert-butyl-3-pyridinyl)oxy]propyl]-3-fluorobenzenesulfonamide

C18H24FN3O3S — CID 59849375

IUPACN-[(2S)-2-amino-3-[(5-tert-butyl-3-pyridinyl)oxy]propyl]-3-fluorobenzenesulfonamide
SMILESCC(C)(C)c1cncc(OC[C@@H](N)CNS(=O)(=O)c2cccc(F)c2)c1
InChIInChI=1S/C18H24FN3O3S/c1-18(2,3)13-7-16(11-21-9-13)25-12-15(20)10-22-26(23,24)17-6-4-5-14(19)8-17/h4-9,11,15,22H,10,12,20H2,1-3H3/t15-/m0/s1
InChIKeyYZNSQBMASOTKRO-HNNXBMFYSA-N
MW381.47 g/mol
LogP2.20
Rot. Bonds7

About N-[(2S)-2-amino-3-[(5-tert-butyl-3-pyridinyl)oxy]propyl]-3-fluorobenzenesulfonamide

N-[(2S)-2-amino-3-[(5-tert-butyl-3-pyridinyl)oxy]propyl]-3-fluorobenzenesulfonamide (PubChem CID 59849375) has the molecular formula C18H24FN3O3S and a molecular weight of 381.47 g/mol. Its IUPAC name is N-[(2S)-2-amino-3-[(5-tert-butyl-3-pyridinyl)oxy]propyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-amino-3-[(5-tert-butyl-3-pyridinyl)oxy]propyl]-3-fluorobenzenesulfonamide
PubChem CID59849375
Molecular FormulaC18H24FN3O3S
Molecular Weight381.47 g/mol
Exact Mass381.15
IUPAC NameN-[(2S)-2-amino-3-[(5-tert-butyl-3-pyridinyl)oxy]propyl]-3-fluorobenzenesulfonamide
SMILESCC(C)(C)c1cncc(OC[C@@H](N)CNS(=O)(=O)c2cccc(F)c2)c1
InChIInChI=1S/C18H24FN3O3S/c1-18(2,3)13-7-16(11-21-9-13)25-12-15(20)10-22-26(23,24)17-6-4-5-14(19)8-17/h4-9,11,15,22H,10,12,20H2,1-3H3/t15-/m0/s1
InChIKeyYZNSQBMASOTKRO-HNNXBMFYSA-N
XLogP2.20
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-2-amino-3-[(5-tert-butyl-3-pyridinyl)oxy]propyl]-3-fluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-3-[(5-tert-butyl-3-pyridinyl)oxy]propyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[(2S)-2-amino-3-[(5-tert-butyl-3-pyridinyl)oxy]propyl]-3-fluorobenzenesulfonamide (CID 59849375) is N-[(2S)-2-amino-3-[(5-tert-butyl-3-pyridinyl)oxy]propyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-amino-3-[(5-tert-butyl-3-pyridinyl)oxy]propyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[(2S)-2-amino-3-[(5-tert-butyl-3-pyridinyl)oxy]propyl]-3-fluorobenzenesulfonamide is CC(C)(C)c1cncc(OC[C@@H](N)CNS(=O)(=O)c2cccc(F)c2)c1.
What is the InChIKey of N-[(2S)-2-amino-3-[(5-tert-butyl-3-pyridinyl)oxy]propyl]-3-fluorobenzenesulfonamide?
The InChIKey is YZNSQBMASOTKRO-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24FN3O3S/c1-18(2,3)13-7-16(11-21-9-13)25-12-15(20)10-22-26(23,24)17-6-4-5-14(19)8-17/h4-9,11,15,22H,10,12,20H2,1-3H3/t15-/m0/s1.
What are the key properties of N-[(2S)-2-amino-3-[(5-tert-butyl-3-pyridinyl)oxy]propyl]-3-fluorobenzenesulfonamide?
N-[(2S)-2-amino-3-[(5-tert-butyl-3-pyridinyl)oxy]propyl]-3-fluorobenzenesulfonamide has a molecular weight of 381.47 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-amino-3-[(5-tert-butyl-3-pyridinyl)oxy]propyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 59849375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).